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Volumn 108, Issue 3, 1998, Pages 1040-1049

Structures and vibrational frequencies in the full configuration interaction limit: Predictions for four electronic states of methylene using a triple-zeta plus double polarization (TZ2P) basis

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Indexed keywords


EID: 0001131146     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475465     Document Type: Article
Times cited : (100)

References (87)
  • 2
    • 0000165323 scopus 로고
    • Accurate quantum chemical calculations
    • edited by I. Prigogine and S. A. Rice, Wiley, New York
    • C. W. Bauschlicher, S. R. Langhoff, and P. R. Taylor, Accurate quantum chemical calculations, in Advances in Chemical Physics, edited by I. Prigogine and S. A. Rice, Vol. 77 (Wiley, New York, 1990), pp. 103-161.
    • (1990) Advances in Chemical Physics , vol.77 , pp. 103-161
    • Bauschlicher, C.W.1    Langhoff, S.R.2    Taylor, P.R.3
  • 72
    • 85034280463 scopus 로고    scopus 로고
    • A full CI wave function is rigorously free from artifactual symmetry breaking if no orbitals are frozen or deleted
    • A full CI wave function is rigorously free from artifactual symmetry breaking if no orbitals are frozen or deleted.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.